N E dE d eps ncg rms rms(c) DAV: 1 0.390768249229E+03 0.39077E+03 -0.29363E+04 468 0.122E+03 DAV: 2 -0.778116539328E+02 -0.46858E+03 -0.45737E+03 589 0.321E+02 DAV: 3 -0.107440319629E+03 -0.29629E+02 -0.29537E+02 552 0.914E+01 DAV: 4 -0.107884457587E+03 -0.44414E+00 -0.44320E+00 552 0.118E+01 DAV: 5 -0.107895244338E+03 -0.10787E-01 -0.10784E-01 531 0.177E+00 0.300E+01 DAV: 6 -0.949763126540E+02 0.12919E+02 -0.54914E+01 552 0.353E+01 0.140E+01 DAV: 7 -0.949428938384E+02 0.33419E-01 -0.16027E+00 600 0.553E+00 0.524E+00 DAV: 8 -0.949265267510E+02 0.16367E-01 -0.92294E-02 552 0.192E+00 0.189E+00 DAV: 9 -0.949356527522E+02 -0.91260E-02 -0.38931E-02 552 0.121E+00 0.376E-01 DAV: 10 -0.949378468375E+02 -0.21941E-02 -0.35700E-03 531 0.309E-01 0.983E-02 DAV: 11 -0.949377991547E+02 0.47683E-04 -0.94909E-04 552 0.163E-01 0.143E-02 DAV: 12 -0.949378078729E+02 -0.87182E-05 -0.24185E-05 417 0.285E-02 1 F= -.94937808E+02 E0= -.94946852E+02 d E =-.949378E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.953969726396E+02 -0.45917E+00 -0.35974E+01 517 0.366E+01 0.608E+00 DAV: 2 -0.948849378081E+02 0.51203E+00 -0.20487E+00 531 0.788E+00 0.149E+00 DAV: 3 -0.948668287798E+02 0.18109E-01 -0.20101E-01 553 0.205E+00 0.721E-01 DAV: 4 -0.948629995929E+02 0.38292E-02 -0.90779E-03 545 0.509E-01 0.534E-01 DAV: 5 -0.948607330999E+02 0.22665E-02 -0.37497E-03 560 0.326E-01 0.164E-01 DAV: 6 -0.948606697115E+02 0.63388E-04 -0.35094E-04 531 0.919E-02 0.103E-01 DAV: 7 -0.948606719640E+02 -0.22525E-05 -0.14777E-05 360 0.247E-02 2 F= -.94860672E+02 E0= -.94870931E+02 d E =0.771359E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.951919389491E+02 -0.33127E+00 -0.13847E+01 517 0.231E+01 0.390E+00 DAV: 2 -0.949933431804E+02 0.19860E+00 -0.82348E-01 531 0.500E+00 0.929E-01 DAV: 3 -0.949861519153E+02 0.71913E-02 -0.75304E-02 531 0.130E+00 0.396E-01 DAV: 4 -0.949845353325E+02 0.16166E-02 -0.50886E-03 545 0.388E-01 0.254E-01 DAV: 5 -0.949839580842E+02 0.57725E-03 -0.96232E-04 560 0.179E-01 0.698E-02 DAV: 6 -0.949839659915E+02 -0.79074E-05 -0.24911E-04 545 0.817E-02 0.333E-02 DAV: 7 -0.949839696736E+02 -0.36820E-05 -0.19566E-05 339 0.257E-02 3 F= -.94983970E+02 E0= -.94993568E+02 d E =-.461618E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.949840519914E+02 -0.86000E-04 -0.41889E-03 531 0.400E-01 0.692E-02 DAV: 2 -0.949839878110E+02 0.64180E-04 -0.26019E-04 545 0.883E-02 0.165E-02 DAV: 3 -0.949839858770E+02 0.19340E-05 -0.21066E-05 346 0.227E-02 4 F= -.94983986E+02 E0= -.94993571E+02 d E =-.461780E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.950077169393E+02 -0.23729E-01 -0.58733E+00 468 0.145E+01 0.853E-01 DAV: 2 -0.950065226243E+02 0.11943E-02 -0.14806E-01 545 0.208E+00 0.256E-01 DAV: 3 -0.950050491476E+02 0.14735E-02 -0.38333E-03 568 0.377E-01 0.115E-01 DAV: 4 -0.950046247432E+02 0.42440E-03 -0.11995E-03 552 0.220E-01 0.330E-02 DAV: 5 -0.950046294866E+02 -0.47434E-05 -0.19091E-04 545 0.783E-02 0.264E-02 DAV: 6 -0.950046286913E+02 0.79535E-06 -0.29727E-06 339 0.105E-02 5 F= -.95004629E+02 E0= -.95014381E+02 d E =-.206428E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.950595015219E+02 -0.54872E-01 -0.52699E+01 468 0.437E+01 0.269E+00 DAV: 2 -0.950531012837E+02 0.64002E-02 -0.15400E+00 552 0.666E+00 0.776E-01 DAV: 3 -0.950395702537E+02 0.13531E-01 -0.32905E-02 568 0.115E+00 0.378E-01 DAV: 4 -0.950349543107E+02 0.46159E-02 -0.14368E-02 552 0.771E-01 0.106E-01 DAV: 5 -0.950351245045E+02 -0.17019E-03 -0.23219E-03 545 0.270E-01 0.927E-02 DAV: 6 -0.950351075900E+02 0.16914E-04 -0.38733E-05 464 0.332E-02 0.657E-02 DAV: 7 -0.950351072724E+02 0.31763E-06 -0.84974E-05 538 0.592E-02 6 F= -.95035107E+02 E0= -.95045164E+02 d E =-.511214E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.950426839686E+02 -0.75764E-02 -0.61327E-01 468 0.469E+00 0.307E-01 DAV: 2 -0.950423709789E+02 0.31299E-03 -0.16039E-02 552 0.690E-01 0.895E-02 DAV: 3 -0.950421907551E+02 0.18022E-03 -0.50115E-04 560 0.134E-01 0.394E-02 DAV: 4 -0.950421470906E+02 0.43664E-04 -0.13833E-04 552 0.736E-02 0.117E-02 DAV: 5 -0.950421475469E+02 -0.45626E-06 -0.19108E-05 354 0.269E-02 7 F= -.95042148E+02 E0= -.95052227E+02 d E =-.704027E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.950618152228E+02 -0.19668E-01 -0.55353E+00 468 0.141E+01 0.941E-01 DAV: 2 -0.950591886712E+02 0.26266E-02 -0.15186E-01 552 0.212E+00 0.264E-01 DAV: 3 -0.950575984400E+02 0.15902E-02 -0.42572E-03 560 0.395E-01 0.119E-01 DAV: 4 -0.950571766516E+02 0.42179E-03 -0.13263E-03 552 0.229E-01 0.339E-02 DAV: 5 -0.950571839062E+02 -0.72546E-05 -0.19826E-04 545 0.807E-02 0.277E-02 DAV: 6 -0.950571835596E+02 0.34654E-06 -0.29039E-06 346 0.993E-03 8 F= -.95057184E+02 E0= -.95067316E+02 d E =-.220763E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.950781388797E+02 -0.20955E-01 -0.22094E+01 468 0.283E+01 0.191E+00 DAV: 2 -0.950684495685E+02 0.96893E-02 -0.64858E-01 552 0.436E+00 0.528E-01 DAV: 3 -0.950620860248E+02 0.63635E-02 -0.16219E-02 560 0.790E-01 0.248E-01 DAV: 4 -0.950602391730E+02 0.18469E-02 -0.61009E-03 552 0.494E-01 0.670E-02 DAV: 5 -0.950602973111E+02 -0.58138E-04 -0.90367E-04 545 0.171E-01 0.588E-02 DAV: 6 -0.950602934893E+02 0.38218E-05 -0.11736E-05 353 0.197E-02 9 F= -.95060293E+02 E0= -.95070485E+02 d E =-.251862E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.950668008948E+02 -0.65036E-02 -0.36912E+00 468 0.115E+01 0.753E-01 DAV: 2 -0.950647735870E+02 0.20273E-02 -0.91923E-02 552 0.166E+00 0.222E-01 DAV: 3 -0.950636783779E+02 0.10952E-02 -0.32646E-03 552 0.332E-01 0.925E-02 DAV: 4 -0.950634331626E+02 0.24522E-03 -0.71989E-04 552 0.165E-01 0.312E-02 DAV: 5 -0.950634217135E+02 0.11449E-04 -0.12327E-04 552 0.646E-02 0.207E-02 DAV: 6 -0.950634211394E+02 0.57407E-06 -0.48952E-06 339 0.123E-02 10 F= -.95063421E+02 E0= -.95073593E+02 d E =-.283139E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.950704103304E+02 -0.69886E-02 -0.86928E-01 468 0.560E+00 0.386E-01 DAV: 2 -0.950695099319E+02 0.90040E-03 -0.23720E-02 552 0.835E-01 0.115E-01 DAV: 3 -0.950692524450E+02 0.25749E-03 -0.73084E-04 560 0.158E-01 0.512E-02 DAV: 4 -0.950691845484E+02 0.67897E-04 -0.17777E-04 552 0.837E-02 0.153E-02 DAV: 5 -0.950691845558E+02 -0.73287E-08 -0.25874E-05 408 0.306E-02 11 F= -.95069185E+02 E0= -.95079365E+02 d E =-.576342E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.950951257768E+02 -0.25941E-01 -0.78202E+00 468 0.168E+01 0.117E+00 DAV: 2 -0.950876171667E+02 0.75086E-02 -0.22377E-01 552 0.256E+00 0.341E-01 DAV: 3 -0.950853442510E+02 0.22729E-02 -0.61465E-03 560 0.469E-01 0.156E-01 DAV: 4 -0.950846970889E+02 0.64716E-03 -0.17283E-03 552 0.264E-01 0.442E-02 DAV: 5 -0.950847054763E+02 -0.83874E-05 -0.26825E-04 552 0.933E-02 0.338E-02 DAV: 6 -0.950847048247E+02 0.65157E-06 -0.41813E-06 346 0.132E-02 12 F= -.95084705E+02 E0= -.95094906E+02 d E =-.212837E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.951492416411E+02 -0.64536E-01 -0.31255E+01 468 0.337E+01 0.239E+00 DAV: 2 -0.951200359260E+02 0.29206E-01 -0.96900E-01 545 0.530E+00 0.685E-01 DAV: 3 -0.951107627251E+02 0.92732E-02 -0.23689E-02 560 0.947E-01 0.326E-01 DAV: 4 -0.951079112956E+02 0.28514E-02 -0.80758E-03 552 0.576E-01 0.879E-02 DAV: 5 -0.951079916083E+02 -0.80313E-04 -0.12321E-03 552 0.199E-01 0.723E-02 DAV: 6 -0.951079847755E+02 0.68328E-05 -0.20084E-05 393 0.280E-02 13 F= -.95107985E+02 E0= -.95118218E+02 d E =-.445636E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.952799295770E+02 -0.17194E+00 -0.12472E+02 468 0.676E+01 0.503E+00 DAV: 2 -0.951803314405E+02 0.99598E-01 -0.45570E+00 545 0.114E+01 0.142E+00 DAV: 3 -0.951402265350E+02 0.40105E-01 -0.98827E-02 560 0.200E+00 0.708E-01 DAV: 4 -0.951265663432E+02 0.13660E-01 -0.43371E-02 552 0.134E+00 0.200E-01 DAV: 5 -0.951271665498E+02 -0.60021E-03 -0.68225E-03 552 0.469E-01 0.173E-01 DAV: 6 -0.951271205241E+02 0.46026E-04 -0.12056E-04 584 0.613E-02 0.121E-01 DAV: 7 -0.951271386603E+02 -0.18136E-04 -0.24016E-04 538 0.104E-01 0.230E-02 DAV: 8 -0.951271365315E+02 0.21288E-05 -0.27658E-05 427 0.336E-02 14 F= -.95127137E+02 E0= -.95137422E+02 d E =-.637154E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.951125847094E+02 0.14554E-01 -0.17859E+01 468 0.255E+01 0.100E+00 DAV: 2 -0.951480656290E+02 -0.35481E-01 -0.38535E-01 552 0.338E+00 0.495E-01 DAV: 3 -0.951449142441E+02 0.31514E-02 -0.76256E-03 552 0.538E-01 0.273E-01 DAV: 4 -0.951440100409E+02 0.90420E-03 -0.37326E-03 552 0.407E-01 0.751E-02 DAV: 5 -0.951441018803E+02 -0.91839E-04 -0.78125E-04 545 0.161E-01 0.440E-02 DAV: 6 -0.951441032067E+02 -0.13265E-05 -0.11989E-05 360 0.215E-02 15 F= -.95144103E+02 E0= -.95154450E+02 d E =-.169667E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.951439661865E+02 0.13569E-03 -0.15435E-01 482 0.237E+00 0.991E-02 DAV: 2 -0.951442451968E+02 -0.27901E-03 -0.30370E-03 552 0.302E-01 0.426E-02 DAV: 3 -0.951442232038E+02 0.21993E-04 -0.55129E-05 521 0.466E-02 0.234E-02 DAV: 4 -0.951442175932E+02 0.56107E-05 -0.25551E-05 368 0.359E-02 16 F= -.95144218E+02 E0= -.95154560E+02 d E =-.170811E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.951590267478E+02 -0.14804E-01 -0.54038E+00 468 0.143E+01 0.863E-01 DAV: 2 -0.951599956211E+02 -0.96887E-03 -0.12916E-01 545 0.194E+00 0.275E-01 DAV: 3 -0.951589440730E+02 0.10515E-02 -0.31694E-03 552 0.341E-01 0.151E-01 DAV: 4 -0.951586186073E+02 0.32547E-03 -0.11681E-03 552 0.225E-01 0.383E-02 DAV: 5 -0.951586478071E+02 -0.29200E-04 -0.21759E-04 545 0.834E-02 0.295E-02 DAV: 6 -0.951586475907E+02 0.21631E-06 -0.50836E-06 339 0.159E-02 17 F= -.95158648E+02 E0= -.95168995E+02 d E =-.144300E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.951625687708E+02 -0.39210E-02 -0.26602E+00 468 0.100E+01 0.602E-01 DAV: 2 -0.951630613154E+02 -0.49254E-03 -0.62849E-02 545 0.136E+00 0.193E-01 DAV: 3 -0.951625433131E+02 0.51800E-03 -0.15921E-03 552 0.240E-01 0.105E-01 DAV: 4 -0.951623891750E+02 0.15414E-03 -0.55091E-04 552 0.154E-01 0.273E-02 DAV: 5 -0.951624034749E+02 -0.14300E-04 -0.10253E-04 538 0.574E-02 0.204E-02 DAV: 6 -0.951624036519E+02 -0.17699E-06 -0.25722E-06 339 0.113E-02 18 F= -.95162404E+02 E0= -.95172756E+02 d E =-.181861E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.951626379839E+02 -0.23451E-03 -0.24029E-01 482 0.301E+00 0.179E-01 DAV: 2 -0.951626877132E+02 -0.49729E-04 -0.55646E-03 545 0.405E-01 0.581E-02 DAV: 3 -0.951626404403E+02 0.47273E-04 -0.14703E-04 552 0.725E-02 0.310E-02 DAV: 4 -0.951626270562E+02 0.13384E-04 -0.45869E-05 504 0.449E-02 0.833E-03 DAV: 5 -0.951626286144E+02 -0.15582E-05 -0.92651E-06 339 0.178E-02 19 F= -.95162629E+02 E0= -.95172982E+02 d E =-.184110E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.951670761040E+02 -0.44490E-02 -0.24277E+00 468 0.945E+00 0.737E-01 DAV: 2 -0.951648345409E+02 0.22416E-02 -0.49645E-02 552 0.128E+00 0.366E-01 DAV: 3 -0.951628933581E+02 0.19412E-02 -0.29959E-03 538 0.356E-01 0.138E-01 DAV: 4 -0.951626678943E+02 0.22546E-03 -0.82838E-04 545 0.182E-01 0.332E-02 DAV: 5 -0.951626732379E+02 -0.53436E-05 -0.61719E-05 521 0.451E-02 20 F= -.95162673E+02 E0= -.95173091E+02 d E =-.446235E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.951669738383E+02 -0.43059E-02 -0.60579E-01 468 0.472E+00 0.366E-01 DAV: 2 -0.951663688807E+02 0.60496E-03 -0.11925E-02 552 0.627E-01 0.185E-01 DAV: 3 -0.951658713906E+02 0.49749E-03 -0.82762E-04 538 0.184E-01 0.670E-02 DAV: 4 -0.951658179949E+02 0.53396E-04 -0.20203E-04 545 0.881E-02 0.182E-02 DAV: 5 -0.951658175565E+02 0.43844E-06 -0.12649E-05 360 0.216E-02 21 F= -.95165818E+02 E0= -.95176203E+02 d E =-.318894E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.951713138484E+02 -0.54959E-02 -0.18293E+00 468 0.824E+00 0.470E-01 DAV: 2 -0.951719535446E+02 -0.63970E-03 -0.30166E-02 552 0.969E-01 0.250E-01 DAV: 3 -0.951709668795E+02 0.98667E-03 -0.10337E-03 546 0.224E-01 0.950E-02 DAV: 4 -0.951708341948E+02 0.13268E-03 -0.39698E-04 560 0.131E-01 0.187E-02 DAV: 5 -0.951708382790E+02 -0.40842E-05 -0.40344E-05 482 0.389E-02 22 F= -.95170838E+02 E0= -.95181228E+02 d E =-.502072E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.951748612533E+02 -0.40271E-02 -0.46630E+00 468 0.132E+01 0.747E-01 DAV: 2 -0.951765481945E+02 -0.16869E-02 -0.77586E-02 552 0.155E+00 0.398E-01 DAV: 3 -0.951740455713E+02 0.25026E-02 -0.26433E-03 546 0.357E-01 0.153E-01 DAV: 4 -0.951737021934E+02 0.34338E-03 -0.10332E-03 560 0.211E-01 0.305E-02 DAV: 5 -0.951737121633E+02 -0.99699E-05 -0.10111E-04 552 0.607E-02 0.138E-02 DAV: 6 -0.951737140244E+02 -0.18611E-05 -0.57941E-06 339 0.147E-02 23 F= -.95173714E+02 E0= -.95184113E+02 d E =-.789647E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.951775521027E+02 -0.38399E-02 -0.22162E-01 524 0.294E+00 0.480E-01 DAV: 2 -0.951741894606E+02 0.33626E-02 -0.86732E-03 552 0.538E-01 0.180E-01 DAV: 3 -0.951737123547E+02 0.47711E-03 -0.15292E-03 545 0.202E-01 0.690E-02 DAV: 4 -0.951736292867E+02 0.83068E-04 -0.36618E-04 552 0.104E-01 0.291E-02 DAV: 5 -0.951736187859E+02 0.10501E-04 -0.63718E-05 538 0.427E-02 0.915E-03 DAV: 6 -0.951736194022E+02 -0.61632E-06 -0.16832E-06 332 0.770E-03 24 F= -.95173619E+02 E0= -.95184041E+02 d E =0.946222E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.951751815698E+02 -0.15628E-02 -0.59922E-02 517 0.153E+00 0.251E-01 DAV: 2 -0.951742525345E+02 0.92904E-03 -0.23630E-03 552 0.281E-01 0.940E-02 DAV: 3 -0.951741213588E+02 0.13118E-03 -0.41829E-04 538 0.106E-01 0.362E-02 DAV: 4 -0.951740980453E+02 0.23314E-04 -0.10066E-04 538 0.546E-02 0.153E-02 DAV: 5 -0.951740936177E+02 0.44276E-05 -0.16384E-05 318 0.226E-02 25 F= -.95174094E+02 E0= -.95184504E+02 d E =-.379593E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.951742749075E+02 -0.17686E-03 -0.39720E-02 482 0.121E+00 0.847E-02 DAV: 2 -0.951742968967E+02 -0.21989E-04 -0.82858E-04 560 0.163E-01 0.429E-02 DAV: 3 -0.951742682371E+02 0.28660E-04 -0.26574E-05 377 0.380E-02 0.157E-02 DAV: 4 -0.951742650976E+02 0.31395E-05 -0.14985E-05 339 0.259E-02 26 F= -.95174265E+02 E0= -.95184679E+02 d E =-.171480E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.951742656110E+02 0.26261E-05 -0.10099E-05 311 0.192E-02 0.209E-03 DAV: 2 -0.951742657106E+02 -0.99655E-07 -0.93868E-07 318 0.561E-03 27 F= -.95174266E+02 E0= -.95184679E+02 d E =-.172093E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.951745402365E+02 -0.27463E-03 -0.22767E-02 489 0.933E-01 0.948E-02 DAV: 2 -0.951744384372E+02 0.10180E-03 -0.61465E-04 545 0.140E-01 0.385E-02 DAV: 3 -0.951744124387E+02 0.25998E-04 -0.57641E-05 552 0.426E-02 0.152E-02 DAV: 4 -0.951744077909E+02 0.46478E-05 -0.11384E-05 297 0.211E-02 28 F= -.95174408E+02 E0= -.95184828E+02 d E =-.142080E-03